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Computing Investigations of Molecular and Atomic Vibrations of Ice IX
[Image: see text] The normal modes of ice IX were investigated using the CASTEP code package, which is based on density functional theory. We found that the translational modes could be divided into three categories: four-bond vibrations, which possessed the highest energy; two-bond vibrations, whic...
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| הוצא לאור ב: | ACS Omega |
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| Main Authors: | , , , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
American Chemical Society
2019
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| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6854819/ https://ncbi.nlm.nih.gov/pubmed/31737855 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b03190 |
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